相关论文: Reduced O diffusion through Be doped Pt electrodes
A first-principles-based scheme is developed to simulate properties of (001) PbO-terminated Pb(Zr$_{1-x}$Ti$_{x}$)O$_3$ thin films that are under stress-free and open-circuit boundary conditions. Their low-temperature spontaneous…
We performed molecular statics calculations of energy barriers for adatom moves in the vicinity of steps on Pt(111) surface. We used the semi-empirical many-body Rosato--Guillope--Legrand potential and we systematically calculated barriers…
First-principles calculations were performed to investigate the ferroelectric properties of barium titanate and bismuth ferrite, as well as phonon dispersion of BaTiO3, using density functional theory and density functional perturbation…
Lithium-ion batteries rely on particulate porous electrodes to realize high performance, especially the fast-charging capability. To minimize the particle-wise reaction heterogeneities that may lead to local hot spots, deeper understandings…
Engineering structure of grain boundaries (GBs) by solute segregation is a promising strategy to tailor the properties of polycrystalline materials. Theoretically it has been suggested that solute segregation can trigger phase transitions…
Wave steering by artificial materials (for example, phononic crystals and acoustic metamaterials) is a fascinating frontier in modern physics and engineering, but suffers from bulky sizes and intractable challenges in fabrication. Here, a…
Surface topography dictates the deterministic functionality of diffraction by a surface. In order to maximize the efficiency with which a diffractive optical component, such as a grating or a diffractive lens, directs light into a chosen…
Heteroepitaxial structures based on Bi$_{2}$Te$_{3}$-type topological insulators (TIs) exhibit exotic quantum phenomena. For optimal characterization of these phenomena, it is desirable to control the interface structure during film growth…
Temperature and PtCo composition dependence of exchange bias in PtxCo1-x/CoO bilayers is investigated. It is observed that exchange bias properties, blocking temperature and magnetic anisotropy of the PtxCo1-x/CoO thin films are strongly…
PtBi$_2$ is a polymorphic system with interesting electronic properties. Here we report optimized crystal growth and structural characterization of pyrite-type and trigonal modification of PtBi$_2$. Selected area electron diffraction, X-ray…
Enhanced diffusion of gold atoms into silicon substrate has been studied in Au thin films of various thicknesses (2.0, 5.3, 10.9 and 27.5 nm) deposited on Si(111) and followed by irradiation with 1.5 MeV Au2+ at a flux of 6.3x10^12 ions…
Interdiffusion study is conducted in the Ni-rich part of the beta-Ni(Pt)Al phase following the pseudo-binary approach. Interdiffusion coefficients over the whole composition range considered in this study increases with the increase in Pt…
We describe theoretically the quantum properties of atype-II Optical Parametric Oscillator containing a birefringent plate which induces a linear coupling between the orthogonally polarized signal and idler beams and results in phase…
At the low temperatures of interstellar dust grains, it is well established that surface chemistry proceeds via diffusive mechanisms of H atoms weakly bound (physisorbed) to the surface. Until recently, however, it was unknown whether atoms…
The light elements, Li, Be, and B, provide tracers for many aspects of astronomy including stellar structure, Galactic evolution, and cosmology. We have taken spectra of Be in 117 metal-poor stars ranging in metallicity from [Fe/H] = -0.5…
The dependence of the electrical conductivity on the oxygen partial pressure is calculated for the prototypical perovskite $\Ba\Ti\O_3$ based on data obtained from first-principles calculations within density functional theory. The…
Modern semiconductor materials are increasingly used in multidisciplinary systems demonstrating cross-interactions between mechanical strains and electronic potentials, which gives rise to ubiquitous applications in high sensitivity,…
BiFeO3 thin films have been deposited on Pt/sapphire and Pt/Ti/SiO2/Si substrates with pulsed laser deposition using the same growth conditions, respectively. Au was sputtered as the top electrode. The microscopic structure of the thin film…
Charge transfer from a metal substrate stabilizes honeycomb borophene, whose electron deficit would otherwise spoil the hexagonal order of a $\pi$-bonded 2D atomic network. However, the coupling between the substrate and the boron overlayer…
Benzoic acid (BA) is a model system for studying proton transfer (PT) reactions. The properties of solid BA subject to high pressure (exceeding 1 kbar = 0.1 GPa) are of particular interest due to the possibility of compression-tuning of the…